SCHEMBL9183113

SCHEMBL9183113

CCN(CC)Cc1ccccc1CCOc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
KCNA3 P22001 1/20 0.44
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA7 P36544 2/20 0.42
CHRNA4 P43681 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9182367 0.83 LTA4H (0.50) LTA4HHTTLMNASMN1; SMN2MAPK1
SCHEMBL9185533 0.83 SLC6A4 (0.54) LTA4HKCNA3
Bromide SCHEMBL9181732 0.81 SLC6A4 (0.53) LTA4HKCNA3
SCHEMBL9539239 0.78 KCNA3 (0.45) LTA4HKCNA3SMN1; SMN2NPC1TSHR
SCHEMBL7768256 0.78 TSHR (0.57) CYP1A2CYP2D6CYP2C19HTTLMNA
SCHEMBL31153347 0.78 TSHR (0.57) CYP1A2CYP2D6CYP2C19HTTLMNA
SCHEMBL9180605 0.75 SLC6A2 (0.53) LTA4HKCNA3
SCHEMBL1405290 0.74 CYP2D6 (0.74) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12610941 0.74 CYP2D6 (0.74) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9179819 0.73 SLC6A2 (0.51) LTA4HKCNA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0549773-B1 ETHER-CONTAINING QUATERNARY AMMONIUM SALTS EASTMAN KODAK CO (US) 1995-07-05 EP claimed